SCHEMBL14005156

SCHEMBL14005156

Cc1cccc(C(=O)NNc2ccc(CNCc3ccccn3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.52
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
PTGS2 P35354 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4748727 0.83 NPC1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11722616 0.78 KDM4E (0.67) VNN1RAB9ANPC1MEN1KMT2A
SCHEMBL25376426 0.75 ALDH1A1 (0.60) VNN1RAB9ANPC1MEN1KMT2A
SCHEMBL11782263 0.75 SMN1; SMN2 (0.75) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8346148 0.73 L3MBTL1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29466164 0.73 L3MBTL1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4894209 0.72 PTGS2 (0.60) MEN1KMT2ASMN1; SMN2PTGS2GAA
Ammonia Solution, Strong SCHEMBL3313079 0.72 L3MBTL1 (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL26704054 0.71 ADORA2A (0.66) VNN1RAB9ANPC1MEN1KMT2A
SCHEMBL3314110 0.71 L3MBTL1 (0.62) MEN1KMT2ASMN1; SMN2L3MBTL1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 VNN1 2957/4885RAB9A 1363/4885NPC1 363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.